../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner N A_hR16_167_cf a c/a x1 x2 y2 z2 standard 2 10.142266 1.350768 0.040610934 0.22669274 0.058986122 0.54148134 9.8145673 1.3690471 0.95856322 0.93964842 0.77302193 0.45675368 Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000